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MMsINC code: MMs01646278

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NCc1ccccc1F

InChI:

InChI=1/C14H12ClFN2O3S/c15-11-6-5-9(7-13(11)22(17,20)21)14(19)18-8-10-3-1-2-4-12(10)16/h1-7H,8H2,(H,18,19)(H2,17,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.6739 kcal/mol

Physical Properties
Molecular Weight: 342.778 g/mol	logS: -4.55479	SlogP: 2.3229	Reactive groups: 0

Topological Properties
Globularity: 0.0583136	Sterimol/B1: 2.39147	Sterimol/B2: 4.25942	Sterimol/B3: 4.30931
Sterimol/B4: 4.94622	Sterimol/L: 16.5437

Surface and Volume Properties
Accessible surface: 538.02	Positive charged surface: 239.252	Negative charged surface: 298.769	Volume: 274.5
Hydrophobic surface: 369.844	Hydrophilic surface: 168.176

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01646279
ENAMINE-ZINC05937293